5-thiophen-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Basic information
- CAS
63185-48-8- Standard SMILES
FC(F)(F)C1=CC(c2cccs2)=NCCN1- InChIKey
UTVTXTYRRBFSLK-UHFFFAOYSA-N- Molecular formula
- C10H9F3N2S
- Average molar mass
- 246.25 g/mol
- Monoisotopic mass
- 246.04385396
Names & identifiers
- Preferred name
- 5-thiophen-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
- IUPAC
- 5-thiophen-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine
Names & synonyms
63185-48-85-thiophen-2-yl-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepineDTXSID60353600RefChem:305049DTXCID703046637-(thiophen-2-yl)-5-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepine5-(2-thienyl)-7-(trifluoromethyl)-2,3-dihydro-1H-1,4-diazepineQQUYWSPOCFAGBD-UHFFFAOYSA-NNCA185482-(6-(TRIFLUOROMETHYL)-2H,3H,4H-2,5-DIAZEPINYL)THIOPHENECCG-19361MFCD00042260
Show more names
AKOS022169272MS-11054AG-205/12125191SR-01000082129SR-01000082129-15-(THIOPHEN-2-YL)-7-(TRIFLUOROMETHYL)-2,3-DIHYDRO-1H-1,4-DIAZEPINE
Database identifiers
- CAS
63185-48-8- PubChem CID
- 746191
- DTXSID
DTXSID60353600
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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